Crystallography Open Database

Information card for entry 2205200

2205199 << 2205200 >> 2205201

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Structure parameters

Chemical name	1,4-dimorpholinobenzene
Formula	C14 H20 N2 O2
Calculated formula	C14 H20 N2 O2
SMILES	O1CCN(CC1)c1ccc(cc1)N1CCOCC1
Title of publication	1,4-Dimorpholinobenzene
Authors of publication	Quail, J. Wilson; Doroudi, Alireza; Das, Umashankar; Dimmock, Jonathan R.
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	3
Pages of publication	o693 - o695
a	6.941 ± 0.0007 Å
b	8.141 ± 0.0009 Å
c	11.212 ± 0.0006 Å
α	90°
β	90.994 ± 0.006°
γ	90°
Cell volume	633.46 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.083
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
180972 (current)	2016-04-02	hkl/2/20/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/20/52.	2205200.cif 2205200.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2205200.cif 2205200.hkl
26025	2011-09-16	hkl/2/ Adding assigned Fobs files for the 1980-2010 IUCr data.	2205200.cif 2205200.hkl